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Phys. Rev. B 50, 10780 - 10787 (1994)

Quasiparticle band structures of six II-VI compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe

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Oleg Zakharov, Angel Rubio, X. Blase, Marvin L. Cohen, and Steven G. Louie
Department of Physics, University of California at Berkeley, Berkeley, California 94720
Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

Received 25 April 1994

Quasiparticle band structures of six II-VI compounds (ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende and wurtzite structures) are calculated using the GW approximation. Results for band structures, calculated using the ab initio pseudopotential method within the local-density approximation (LDA), are given along with the energies of the quasiparticle excitations at symmetry points. Comparisons are made with measured values and trends in the GW corrections to the LDA band structures are examined.


©1994 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.50.10780
DOI: 10.1103/PhysRevB.50.10780
PACS: 71.25.Tn, 71.10.+x, 31.20.Tz

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